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6-(Phenoxyacetamido)penicillanic acid, tms derivative
SpectraBase Compound ID 2Zx4Gdw7yOF
InChI InChI=1S/C19H26N2O5SSi/c1-19(2)15(18(24)26-28(3,4)5)21-16(23)14(17(21)27-19)20-13(22)11-25-12-9-7-6-8-10-12/h6-10,14-15,17H,11H2,1-5H3,(H,20,22)/t14-,15+,17-/m1/s1
InChIKey NKWXXIBKSLKFJM-HLLBOEOZSA-N
Mol Weight 422.57 g/mol
Molecular Formula C19H26N2O5SSi
Exact Mass 422.13317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIBbvnuxKRz
Name 6-(Phenoxyacetamido)penicillanic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 422.133169649 u
Formula C19H26N2O5SSi
InChI InChI=1S/C19H26N2O5SSi/c1-19(2)15(18(24)26-28(3,4)5)21-16(23)14(17(21)27-19)20-13(22)11-25-12-9-7-6-8-10-12/h6-10,14-15,17H,11H2,1-5H3,(H,20,22)/t14-,15+,17-/m1/s1
InChIKey NKWXXIBKSLKFJM-HLLBOEOZSA-N
Molecular Weight 422.571 g/mol
SMILES CC1(C)S[C@@]2([C@](NC(=O)COC3=CC=CC=C3)(C(N2[C@]1(C(O[Si](C)(C)C)=O)[H])=O)[H])[H]